SCHEMBL6814985

SCHEMBL6814985

COc1ccccc1CCNC(=S)Nc1ccc(NC(=O)c2csnn2)cc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.56
TP53 P04637 5/20 0.56
MEN1 O00255 5/20 0.55
KMT2A Q03164 5/20 0.55
LMNA P02545 2/20 0.53
CNR1 P21554 1/20 0.53
ALDH1A1 P00352 4/20 0.50
THRB P10828 1/20 0.50
ALOX12 P18054 1/20 0.49
MTNR1A P48039 1/20 0.48
MTNR1B P49286 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 1/20 0.47
POLB P06746 1/20 0.47
HPGD P15428 1/20 0.47
RAB9A P51151 1/20 0.47
NAMPT P43490 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6814650 0.90 ALDH1A1 (0.61) MAPTTP53MEN1KMT2ALMNA
SCHEMBL6814141 0.88 TP53 (0.54) MAPTTP53MEN1KMT2ALMNA
SCHEMBL6814963 0.85 MAPT (0.54) MAPTTP53MEN1KMT2ALMNA
SCHEMBL6814899 0.85 MAPT (0.56) MAPTTP53MEN1KMT2ALMNA
SCHEMBL6816647 0.84 MAPT (0.60) MAPTTP53MEN1KMT2ALMNA
SCHEMBL6815133 0.83 MAPT (0.69) MAPTTP53MEN1KMT2ALMNA
SCHEMBL6815050 0.82 LMNA (0.54) MAPTTP53MEN1KMT2ALMNA
SCHEMBL6815912 0.82 MAPT (0.60) MAPTTP53MEN1KMT2ALMNA
SCHEMBL6811239 0.80 THRB (0.62) MAPTTP53MEN1KMT2ALMNA
SCHEMBL6815867 0.79 MAPT (0.55) MAPTTP53MEN1KMT2ALMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1137632-B1 THIOUREA INHIBITORS OF HERPES VIRUSES WYETH CORP (US) 2004-07-28 EP disclosed
EP-1137645-B1 ALPHA-METHYLBENZYL-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING A PHENYLENEDIAMINE GROUP WYETH CORP (US) 2004-05-26 EP disclosed
US-6555561-B2 N-(5-((((5-Chloro-2,4-dimethoxyphenyl)amino)thioxomethyl)-amino)-2 -pyridinyl)-2-methylbenzamide, for example; inhibiting replication of a herpes virus WYETH 2003-04-29 US disclosed
US-6426355-B1 VIRICIDES; PREVENTION PRODUCTION AMERICAN HOME PRODUCTS 2002-07-30 US disclosed
US-6262090-B1 Aminopyridine-containing thiourea inhibitors of herpes viruses AMERICAN HOME PRODUCTS CORPORATION 2001-07-17 US disclosed